4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

C19H19N5 — CID 129086093

IUPAC4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CCN2c1ccnc(NCCc2ccncc2)n1
InChIInChI=1S/C19H19N5/c1-2-4-17-16(3-1)9-14-24(17)18-8-13-22-19(23-18)21-12-7-15-5-10-20-11-6-15/h1-6,8,10-11,13H,7,9,12,14H2,(H,21,22,23)
InChIKeyDUVZLPDIBYBFEU-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.22
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 129086093) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID129086093
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)CCN2c1ccnc(NCCc2ccncc2)n1
InChIInChI=1S/C19H19N5/c1-2-4-17-16(3-1)9-14-24(17)18-8-13-22-19(23-18)21-12-7-15-5-10-20-11-6-15/h1-6,8,10-11,13H,7,9,12,14H2,(H,21,22,23)
InChIKeyDUVZLPDIBYBFEU-UHFFFAOYSA-N
XLogP3.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 129086093) is 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is c1ccc2c(c1)CCN2c1ccnc(NCCc2ccncc2)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is DUVZLPDIBYBFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-4-17-16(3-1)9-14-24(17)18-8-13-22-19(23-18)21-12-7-15-5-10-20-11-6-15/h1-6,8,10-11,13H,7,9,12,14H2,(H,21,22,23).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 129086093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).